[2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol

C11H12F4O2 — CID 54391454

IUPAC[2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol
SMILESCCCOCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C11H12F4O2/c1-2-3-17-5-7-10(14)8(12)6(4-16)9(13)11(7)15/h16H,2-5H2,1H3
InChIKeyVGXWBZFKWDRAKY-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.66
Rot. Bonds5

About [2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol

[2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol (PubChem CID 54391454) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol
PubChem CID54391454
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name[2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol
SMILESCCCOCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C11H12F4O2/c1-2-3-17-5-7-10(14)8(12)6(4-16)9(13)11(7)15/h16H,2-5H2,1H3
InChIKeyVGXWBZFKWDRAKY-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol?
The IUPAC name of [2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol (CID 54391454) is [2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol.
What is the SMILES notation for [2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol?
The canonical SMILES for [2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol is CCCOCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of [2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol?
The InChIKey is VGXWBZFKWDRAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c1-2-3-17-5-7-10(14)8(12)6(4-16)9(13)11(7)15/h16H,2-5H2,1H3.
What are the key properties of [2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol?
[2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol has a molecular weight of 252.21 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetrafluoro-4-(propoxymethyl)phenyl]methanol is sourced from PubChem (CID 54391454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).